2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one

C11H22N2O2 — CID 103531981

IUPAC2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one
SMILESCCC(C)(CN)C(=O)N1CCC(OC)C1
InChIInChI=1S/C11H22N2O2/c1-4-11(2,8-12)10(14)13-6-5-9(7-13)15-3/h9H,4-8,12H2,1-3H3
InChIKeyRHXWBCGSYIILQU-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds4

About 2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one

2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one (PubChem CID 103531981) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one
PubChem CID103531981
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one
SMILESCCC(C)(CN)C(=O)N1CCC(OC)C1
InChIInChI=1S/C11H22N2O2/c1-4-11(2,8-12)10(14)13-6-5-9(7-13)15-3/h9H,4-8,12H2,1-3H3
InChIKeyRHXWBCGSYIILQU-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one
CID 102956889
N-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide
CID 102736157
(1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate
CID 70427418
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one
CID 114290751
4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103532964
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602
(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 103532865
2-[(3R)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide
CID 90229085
2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide
CID 90229138
6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
CID 103532834
4-(3-methoxypyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 103531279

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one (CID 103531981) is 2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one is CCC(C)(CN)C(=O)N1CCC(OC)C1.
What is the InChIKey of 2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one?
The InChIKey is RHXWBCGSYIILQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-11(2,8-12)10(14)13-6-5-9(7-13)15-3/h9H,4-8,12H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one?
2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one is sourced from PubChem (CID 103531981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).